Calibration transfer from powder mixtures to intact tablets: A new use in pharmaceutical analysis for a known tool

Abstract

Calibration transfer is commonly used for spectra obtained in different spectrometers or other conditions. This paper proposed the use of calibration transfer between spectra recorded for the same samples in different physical forms. A new method was developed for the direct determination of nevirapine in solid pharmaceutical formulations based on diffuse reflectance near infrared spectroscopy (NIRS) and partial least squares (PLS). This method was developed with 50 powder mixtures and then, successfully extended to the quantification in intact tablets by using calibration transfer with double window piecewise direct standardization (DWPDS). This chemometric strategy provided good results with a small number of tablet transfer samples, only seven, prepared out of the narrow range of active principle ingredients (API) content around the nominal value of the formulation (100%). The method was fully validated in the working range of 83.0-113.9% of nevirapine and the use of DWPDS allowed to significantly decreasing the root mean square error of prediction (RMSEP) from 4.8% (tablets predicted by a model built with only powder samples) to 2.6%. The range of relative errors decreased from -5.1/8.7% to -4.6/3.3%. Considering that the amount of raw materials demanded for preparing tablets is up to ten times higher than for powder mixtures, this type of application is of particular interest in pharmaceutical analysis. In the context of process analytical technology (PAT), the use of the same multivariate model in different steps of the production is very advantageous, saving time and labor.

Calibration Transfer of Partial Least Squares Regression Models between Desktop Nuclear Magnetic Resonance Spectrometers

“…Calibration transfer is a standardization technique that aims to minimize the instrumental and/or environmental differences found for spectra acquired on different devices to enable the direct application of a developed calibration model from a primary (an instrument used to build the calibration model) to a secondary device (new instrument) without the necessity of recalibration. 7,18 The most applied calibration transfer methods for optical instruments are the DS and PDS. 19 These multivariate transfer methods require few transference samples to predict the response (spectra) of the primary instrument applying the spectra acquired on the secondary instrument.…”

A calibration transfer optimized single kernel near-infrared spectroscopic method

“…Calibration transfer [11] is a model standardization technique, and it is used to calibrate the spectral differences or prediction result deviations when the test conditions or instrument parameters change [12]. In a study published by Pereira et al [13], calibration transfer was used to transfer the spectra recorded for the same samples in different physical forms. Inspired by this work, a single kernel near-infrared spectroscopic method optimized by calibration transfer was proposed.…”

A feasibility quantitative analysis of free fatty acids in polished rice by fourier transform near‐infrared spectroscopy and chemometrics

“…Near‐infrared spectroscopy (NIRS) represents the vibration response of different molecules inside the sample in the near‐infrared (NIR) region (Chu, 2011), and it mainly reflects the absorption of molecular overtone and combination vibrations of hydrogenous groups X ‐ H (X = C, N, O) of the sample. As a fast, convenient, and green analysis method, it has been widely used in various fields, including dairy products (Zhang et al, 2014), meat (Zheng et al, 2019), medicine (Pereira et al, 2016), petrochemicals (Paiva et al, 2015), agricultural production (Lu et al, 2020), and so forth. Based on the principle of NIRS, it is feasible and effective to use NIRS combined with multiple regression analysis to detect the content of FFAs in rice, but it has not been fully exploited.…”